1w76: Difference between revisions

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-[[Image:1w76.png|left|200px]]
-<!--
+==Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative==
-The line below this paragraph, containing "STRUCTURE_1w76", creates the "Structure Box" on the page.
+<StructureSection load='1w76' size='340' side='right'caption='[[1w76]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W76 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W76 FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GNT:(-)-GALANTHAMINE'>GNT</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
-{{STRUCTURE_1w76|  PDB=1w76  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1w76 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w76 OCA], [https://pdbe.org/1w76 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w76 RCSB], [https://www.ebi.ac.uk/pdbsum/1w76 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w76 ProSAT]</span></td></tr>
+</table>
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w7/1w76_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1w76 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Bifunctional derivatives of the alkaloid galanthamine, designed to interact with both the active site of the enzyme acetylcholinesterase (AChE) and its peripheral cation binding site, have been assayed with Torpedo californica AChE (TcAChE), and the three-dimensional structures of their complexes with the enzyme have been solved by X-ray crystallography. Differences were noted between the IC(50) values obtained for TcAChE and those for Electrophorus electricus AChE. These differences are ascribed to sequence differences in one or two residues lining the active-site gorge of the enzyme. The binding of one of the inhibitors disrupts the native conformation of one wall of the gorge, formed by the loop Trp279-Phe290. It is proposed that flexibility of this loop may permit the binding of inhibitors such as galanthamine, which are too bulky to penetrate the narrow neck of the gorge formed by Tyr121 and Phe330 as seen in the crystal structure.
-===ORTHORHOMBIC FORM OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE (ACHE) COMPLEXED WITH BIS-ACTING GALANTHAMINE DERIVATIVE===
+The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.,Greenblatt HM, Guillou C, Guenard D, Argaman A, Botti S, Badet B, Thal C, Silman I, Sussman JL J Am Chem Soc. 2004 Dec 1;126(47):15405-11. PMID:15563167<ref>PMID:15563167</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<!--
+</div>
-The line below this paragraph, {{ABSTRACT_PUBMED_15563167}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 1w76" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 15563167 is the PubMed ID number.
--->
-{{ABSTRACT_PUBMED_15563167}}
-==About this Structure==
-[[1w76]] is a 2 chain structure of [[Acetylcholinesterase]] with sequence from [http://en.wikipedia.org/wiki/Torpedo_californica Torpedo californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W76 OCA].
 ==See Also==
-*[[Acetylcholinesterase|Acetylcholinesterase]]
+*[[Acetylcholinesterase 3D structures|Acetylcholinesterase 3D structures]]
-*[[Alzheimer's Disease|Alzheimer's Disease]]
+== References ==
+<references/>
-==Reference==
+__TOC__
-<ref group="xtra">PMID:015563167</ref><ref group="xtra">PMID:009839013</ref><references group="xtra"/>
+</StructureSection>
-[[Category: Acetylcholinesterase]]
+[[Category: Large Structures]]
-[[Category: Torpedo californica]]
+[[Category: Badet B]]
-[[Category: Badet, B.]]
+[[Category: Greenblatt HM]]
-[[Category: Greenblatt, H M.]]
+[[Category: Guenard D]]
-[[Category: Guenard, D.]]
+[[Category: Guillou C]]
-[[Category: Guillou, C.]]
+[[Category: Silman I]]
-[[Category: Silman, I.]]
+[[Category: Sussman JL]]
-[[Category: Sussman, J L.]]
+[[Category: Thal C]]
-[[Category: Thal, C.]]
-[[Category: Alzheimer's disease]]
-[[Category: Cholinesterase]]
-[[Category: Glycoprotein]]
-[[Category: Gpi-anchor]]
-[[Category: Hydrolase]]
-[[Category: Muscle]]
-[[Category: Nerve]]
-[[Category: Neurotransmitter degradation]]
-[[Category: Serine esterase]]
-[[Category: Serine hydrolase]]
-[[Category: Synapse]]